SCHEMBL397157

SCHEMBL397157

c1ccc2c(c1)NCCC21CCNCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.51
BACE1 P56817 1/20 0.42
OPRM1 P35372 2/20 0.41
SIGMAR1 Q99720 2/20 0.39
HTR2A P28223 4/20 0.38
DRD2 P14416 1/20 0.38
SLC6A2 P23975 1/20 0.38
HTR2C P28335 1/20 0.38
SLC6A4 P31645 1/20 0.38
TSHR P16473 2/20 0.35
USP2 O75604 2/20 0.34
CYP2D6 P10635 2/20 0.34
ALDH1A1 P00352 3/20 0.34
HSD17B10 Q99714 3/20 0.34
HPGD P15428 2/20 0.34
CYP1A2 P05177 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TNKS O95271 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3934411 0.92 KDM1A (0.55) KDM1ABACE1OPRM1HTR2ADRD2
SCHEMBL15523144 0.88 KDM1A (0.51) KDM1ABACE1OPRM1SIGMAR1HTR2A
SCHEMBL25422577 0.86 KDM1A (0.50) KDM1ABACE1SIGMAR1TSHRUSP2
SCHEMBL29384112 0.86 BACE1 (0.45) KDM1ABACE1OPRM1SIGMAR1HTR2A
SCHEMBL29384355 0.86 KDM1A (0.50) KDM1ABACE1SIGMAR1TSHRUSP2
SCHEMBL210677 0.86 BACE1 (0.45) KDM1ABACE1OPRM1SIGMAR1HTR2A
Iodide SCHEMBL9047078 0.85 BACE1 (0.44) KDM1ABACE1OPRM1SIGMAR1HTR2A
Hydrochloric Acid SCHEMBL8063249 0.85 BACE1 (0.44) KDM1ABACE1OPRM1SIGMAR1HTR2A
Hydrochloric Acid SCHEMBL6543309 0.85 BACE1 (0.44) KDM1ABACE1OPRM1SIGMAR1HTR2A
SCHEMBL13209513 0.83 KDM1A (0.47) KDM1ABACE1OPRM1HTR2CALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 154 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230416262-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. 2023-12-28 US disclosed
EP-4192957-A2 TRPML MODULATORS Casma Therapeutics, Inc. (US) 2023-06-14 EP disclosed
CN-116113698-A TRPML modulators 卡斯玛治疗公司 2023-05-12 CN disclosed
WO-2022032073-A2 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2022-02-10 WO disclosed
WO-2021127337-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed
CN-107501099-B Modulators of ATP-binding cassette transporters 沃泰克斯药物股份有限公司 2021-03-19 CN disclosed
EP-3705477-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2020-09-09 EP disclosed
US-10662192-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-05-26 US disclosed
US-10662192-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-05-26 US disclosed
EP-3216787-B1 INTERMEDIATES FOR THE PREPARATION OF MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2020-02-19 EP disclosed
US-20080015179-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2008-01-17 US disclosed
US-20080009495-A1 Compound Containing Basic Group and Use Thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2008-01-10 US disclosed
EP-1852432-A1 NITROGENOUS HETEROCYCLIC COMPOUND AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-11-07 EP disclosed
WO-2007100670-A1 SPIRO CONDENSED PIPERIDNES AS MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-09-07 WO disclosed
WO-2007075946-A1 COMPOUNDS USEFUL IN CFTR ASSAYS AND METHODS THEREWITH VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-07-05 WO disclosed
WO-2007075946-A1 COMPOUNDS USEFUL IN CFTR ASSAYS AND METHODS THEREWITH VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-07-05 WO disclosed
EP-1790639-A1 COMPOUND CONTAINING BASIC GROUP AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-05-30 EP disclosed
EP-1773816-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2007-04-18 EP disclosed
US-20060074075-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), used for treating genetic disorders; respiratory system disorders VERTEX PHARMACEUTICALS INCORPORATED 2006-04-06 US disclosed
WO-2006002421-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-01-05 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10662192-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 KDM1A 4571/4885BACE1 2395/4885OPRM1 2179/4885
US-20080015179-A1 Modulators of muscarinic receptors CHRM3, CHRM5, CHRM2 KDM1A 2615/4885BACE1 2427/4885OPRM1 66/4885
US-20060074075-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), used for treating genetic disorders; respiratory system disorders CFTR, ABCC4, ABCC2 KDM1A 4726/4885BACE1 4467/4885OPRM1 3020/4885
US-20230416262-A1 TRPML MODULATORS TRPM2, TRPM4, TRPM5 KDM1A 3127/4885BACE1 3020/4885OPRM1 121/4885
US-20080009495-A1 Compound Containing Basic Group and Use Thereof CXCR4, CCR5, CXCR3 KDM1A 4525/4885BACE1 2354/4885OPRM1 702/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.